bismuthane;copper;3,4,5-trihydroxybenzoic acid

C7H9BiCuO5 — CID 175210163

IUPACbismuthane;copper;3,4,5-trihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[BiH3].[Cu]
InChIInChI=1S/C7H6O5.Bi.Cu.3H/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;;;/h1-2,8-10H,(H,11,12);;;;;
InChIKeyOTYCSSVTLSWYFW-UHFFFAOYSA-N
MW445.67 g/mol
LogP-0.68
Rot. Bonds1

About bismuthane;copper;3,4,5-trihydroxybenzoic acid

bismuthane;copper;3,4,5-trihydroxybenzoic acid (PubChem CID 175210163) has the molecular formula C7H9BiCuO5 and a molecular weight of 445.67 g/mol. Its IUPAC name is bismuthane;copper;3,4,5-trihydroxybenzoic acid.

Molecular Properties

Compound Namebismuthane;copper;3,4,5-trihydroxybenzoic acid
PubChem CID175210163
Molecular FormulaC7H9BiCuO5
Molecular Weight445.67 g/mol
Exact Mass444.95
IUPAC Namebismuthane;copper;3,4,5-trihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[BiH3].[Cu]
InChIInChI=1S/C7H6O5.Bi.Cu.3H/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;;;/h1-2,8-10H,(H,11,12);;;;;
InChIKeyOTYCSSVTLSWYFW-UHFFFAOYSA-N
XLogP-0.68
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.67
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze bismuthane;copper;3,4,5-trihydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trihydroxybenzoic acid
CID 370
CID 173368262
CID 173368262
silver;3,4,5-trihydroxybenzoic acid
CID 87285421
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
silane;3,4,5-trihydroxybenzoic acid
CID 174840630
strontium;hydride;3,4,5-trihydroxybenzoic acid
CID 173029021
magnesium;hydride;3,4,5-trihydroxybenzoic acid
CID 173071823
strontium;hydride;lanthanum;3,4,5-trihydroxybenzoic acid
CID 173027938
CID 174741030
CID 174741030
lithium;lanthanum;3,4,5-trihydroxybenzoate;tris(3,4,5-trihydroxybenzoic acid)
CID 153347534
tris(prop-2-enoic acid);3,4,5-trihydroxybenzoic acid
CID 175712674
butane-1,4-diol;3,4,5-trihydroxybenzoic acid
CID 20505808

Frequently Asked Questions

What is the IUPAC name of bismuthane;copper;3,4,5-trihydroxybenzoic acid?
The IUPAC name of bismuthane;copper;3,4,5-trihydroxybenzoic acid (CID 175210163) is bismuthane;copper;3,4,5-trihydroxybenzoic acid.
What is the SMILES notation for bismuthane;copper;3,4,5-trihydroxybenzoic acid?
The canonical SMILES for bismuthane;copper;3,4,5-trihydroxybenzoic acid is O=C(O)c1cc(O)c(O)c(O)c1.[BiH3].[Cu].
What is the InChIKey of bismuthane;copper;3,4,5-trihydroxybenzoic acid?
The InChIKey is OTYCSSVTLSWYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5.Bi.Cu.3H/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;;;/h1-2,8-10H,(H,11,12);;;;;.
What are the key properties of bismuthane;copper;3,4,5-trihydroxybenzoic acid?
bismuthane;copper;3,4,5-trihydroxybenzoic acid has a molecular weight of 445.67 g/mol, XLogP of -0.68, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;copper;3,4,5-trihydroxybenzoic acid is sourced from PubChem (CID 175210163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).